4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide

C11H8Cl2N2O2S3 — CID 43344174

IUPAC4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C11H8Cl2N2O2S3/c12-9-5-8(10(13)19-9)20(16,17)15-7-3-1-6(2-4-7)11(14)18/h1-5,15H,(H2,14,18)
InChIKeyDIGASALUDPODAX-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.49
Rot. Bonds4

About 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide

4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide (PubChem CID 43344174) has the molecular formula C11H8Cl2N2O2S3 and a molecular weight of 367.30 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
PubChem CID43344174
Molecular FormulaC11H8Cl2N2O2S3
Molecular Weight367.30 g/mol
Exact Mass365.91
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C11H8Cl2N2O2S3/c12-9-5-8(10(13)19-9)20(16,17)15-7-3-1-6(2-4-7)11(14)18/h1-5,15H,(H2,14,18)
InChIKeyDIGASALUDPODAX-UHFFFAOYSA-N
XLogP3.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
4-chloro-3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80695158
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2475991
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide
CID 61124491
N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
CID 2687844

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide (CID 43344174) is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide is NC(=S)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide?
The InChIKey is DIGASALUDPODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S3/c12-9-5-8(10(13)19-9)20(16,17)15-7-3-1-6(2-4-7)11(14)18/h1-5,15H,(H2,14,18).
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide?
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide has a molecular weight of 367.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide is sourced from PubChem (CID 43344174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).